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847685-12-5 | 1,3-Dioxolane-2-carboxylic acid, 4,4,5-trifluoro-2,5-bis(trifluoromethyl)-
CAS No: 847685-12-5 Catalog No: AG004RVL MDL No:
Product Description
Catalog Number:
AG004RVL
Chemical Name:
1,3-Dioxolane-2-carboxylic acid, 4,4,5-trifluoro-2,5-bis(trifluoromethyl)-
CAS Number:
847685-12-5
Molecular Formula:
C6HF9O4
Molecular Weight:
308.0554
IUPAC Name:
4,4,5-trifluoro-2,5-bis(trifluoromethyl)-1,3-dioxolane-2-carboxylic acid
InChI:
InChI=1S/C6HF9O4/c7-3(5(11,12)13)6(14,15)19-2(18-3,1(16)17)4(8,9)10/h(H,16,17)
InChI Key:
SIJLTAVFEHEPTJ-UHFFFAOYSA-N
SMILES:
OC(=O)C1(OC(C(O1)(F)C(F)(F)F)(F)F)C(F)(F)F
Properties
Complexity:
401
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
307.973g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
13
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
308.056g/mol
Monoisotopic Mass:
307.973g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
55.8A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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